BDBM33449 (5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-p-tolyl-methanone::MLS000527907::SMR000120481::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(p-tolyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::cid_828590

SMILES Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1

InChI Key InChIKey=PGDFFQTZZYUSBF-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 33449   

TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33449((5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-p-tolyl...)
Affinity DataIC50:  2.09E+3nMpH: 7.4 T: 2°CAssay Description:HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetKallikrein-5(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33449((5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-p-tolyl...)
Affinity DataIC50:  1.94E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33449((5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-p-tolyl...)
Affinity DataIC50:  2.09E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProthrombin(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33449((5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-p-tolyl...)
Affinity DataIC50:  741nMpH: 7.5 T: 2°CAssay Description:HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay